SCHEMBL2134115

SCHEMBL2134115

CCOC(=O)CCCCOc1ccc(Br)c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.53
BRD4 O60885 1/20 0.52
PDK2 Q15119 2/20 0.51
ALDH2 P05091 2/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
TNF P01375 1/20 0.46
FFAR1 O14842 1/20 0.46
STING1 Q86WV6 2/20 0.46
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45
CYSLTR2 Q9NS75 2/20 0.44
CYSLTR1 Q9Y271 2/20 0.44
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
P2RY12 Q9H244 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24478464 0.88 BRD4 (0.55) PTPN1BRD4PDK2FFAR1CYSLTR2
SCHEMBL8428121 0.84 PTPN1 (0.55) PTPN1
SCHEMBL31236977 0.84 MAPT (0.48) PTPN1BRD4THRATHRBPDE3B
SCHEMBL31457737 0.83 PTPN1 (0.51) PTPN1BRD4TNFSTING1
SCHEMBL26654659 0.83 PTPN1 (0.51) PTPN1BRD4TNFSTING1
SCHEMBL2133552 0.81 TNF (0.49) PTPN1BRD4PDK2ALDH2MAOA
SCHEMBL2132931 0.81 THRA (0.47) PTPN1BRD4PDK2ALDH2FFAR1
SCHEMBL2133616 0.80 BRD4 (0.55) PTPN1BRD4PDK2FFAR1CYSLTR2
SCHEMBL31236972 0.80 PTPN1 (0.54) PTPN1PDK2FFAR1
SCHEMBL6599701 0.80 BRD4 (0.52) PTPN1BRD4PDK2TNFCYSLTR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2445892-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONISTS Glaxo Group Limited (GB) 2012-05-02 EP disclosed
US-20120101136-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1- PHOSPHATE RECEPTOR AGONISTS GLAXO GROUP LIMITED 2012-04-26 US disclosed
US-20120101136-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1- PHOSPHATE RECEPTOR AGONISTS GLAXO GROUP LIMITED 2012-04-26 US disclosed
US-20120101136-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1- PHOSPHATE RECEPTOR AGONISTS GLAXO GROUP LIMITED 2012-04-26 US disclosed
WO-2010148650-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2010-12-29 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120101136-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1- PHOSPHATE RECEPTOR AGONISTS S1PR1, S1PR5, S1PR3 PTPN1 1569/4885BRD4 2276/4885PDK2 1729/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.